Information card for entry 4135297

Structure parameters

• Formula: C148 H174 Cl8 Cu2 N8
• Calculated formula: C148 H174 Cl8 Cu2 N8
• Title of publication: A Three Coordinate Copper(II) Alkynyl Complex in C-C Bond Formation: The Sesquicentennial of the Glaser Coupling.
• Authors of publication: Bakhoda, Abolghasem; Okoromoba, Otome E.; Greene, Christine; Raghibi Boroujeni, Mahdi; Bertke, Jeffery A.; Warren, Timothy H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.2524 ± 0.0013 Å
• b: 16.566 ± 0.0016 Å
• c: 17.6421 ± 0.0018 Å
• α: 62.187 ± 0.004°
• β: 75.974 ± 0.004°
• γ: 85.011 ± 0.004°
• Cell volume: 3322 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2775
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No